Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR3 | P51677 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 5/20 | 0.42 |
| ▸ | S1PR1 | P21453 | 5/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | NR1H2 | P55055 | 2/20 | 0.39 |
| ▸ | NR1H3 | Q13133 | 2/20 | 0.39 |
| ▸ | AGTR2 | P50052 | 3/20 | 0.39 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL29036351 | 1.00 | CCR3 (0.43) | CCR3CYP2C9S1PR1CYP2D6CYP3A4 | |
| SCHEMBL1371619 | 1.00 | CCR3 (0.43) | CCR3CYP2C9S1PR1CYP2D6CYP3A4 | |
| SCHEMBL31272806 | 0.91 | CCR3 (0.43) | CCR3CYP2C9S1PR1CYP2D6CYP3A4 | |
| SCHEMBL2171522 | 0.89 | CYP2C19 (0.44) | CYP3A4NR1H2NR1H3 | |
| SCHEMBL1371521 | 0.89 | CYP2C19 (0.44) | CYP3A4NR1H2NR1H3 | |
| SCHEMBL27190612 | 0.89 | CYP2C19 (0.44) | CYP3A4NR1H2NR1H3 | |
| SCHEMBL1373084 | 0.89 | NR1H2 (0.48) | NR1H2NR1H3AGTR2 | |
| SCHEMBL21409001 | 0.89 | NR1H2 (0.48) | NR1H2NR1H3AGTR2 | |
| SCHEMBL13687997 | 0.89 | NR1H2 (0.48) | NR1H2NR1H3AGTR2 | |
| SCHEMBL7285245 | 0.89 | NR1H2 (0.48) | NR1H2NR1H3AGTR2 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116239649-A | Compound and composition for virus 3CL protease inhibitor and application thereof | 浙江大学智能创新药物研究院 | 2023-06-09 | — | — | CN | disclosed |
| EP-2346821-A1 | SPHINGOSINE-1-PHOSPHATE RECEPTOR ANTAGONISTS | Exelixis, Inc. (US) | 2011-07-27 | — | — | EP | disclosed |
| WO-2010045580-A1 | SPHINGOSINE-1-PHOSPHATE RECEPTOR ANTAGONISTS | EXELIXIS, INC. (US) | 2010-04-22 | — | — | WO | disclosed |